1-cyclopropylsulfonylpiperidin-3-ol;7-[1-(difluoromethyl)cyclopropyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine

C18H24F3N5O3S — CID 169117453

IUPAC1-cyclopropylsulfonylpiperidin-3-ol;7-[1-(difluoromethyl)cyclopropyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESNc1ncc2c(F)cc(C3(C(F)F)CC3)n2n1.O=S(=O)(C1CC1)N1CCCC(O)C1
InChIInChI=1S/C10H9F3N4.C8H15NO3S/c11-5-3-7(10(1-2-10)8(12)13)17-6(5)4-15-9(14)16-17;10-7-2-1-5-9(6-7)13(11,12)8-3-4-8/h3-4,8H,1-2H2,(H2,14,16);7-8,10H,1-6H2
InChIKeyNRNCBXIITMJGMB-UHFFFAOYSA-N
MW447.48 g/mol
LogP1.68
Rot. Bonds4

About 1-cyclopropylsulfonylpiperidin-3-ol;7-[1-(difluoromethyl)cyclopropyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine

1-cyclopropylsulfonylpiperidin-3-ol;7-[1-(difluoromethyl)cyclopropyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine (PubChem CID 169117453) has the molecular formula C18H24F3N5O3S and a molecular weight of 447.48 g/mol. Its IUPAC name is 1-cyclopropylsulfonylpiperidin-3-ol;7-[1-(difluoromethyl)cyclopropyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine.

Molecular Properties

Compound Name1-cyclopropylsulfonylpiperidin-3-ol;7-[1-(difluoromethyl)cyclopropyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine
PubChem CID169117453
Molecular FormulaC18H24F3N5O3S
Molecular Weight447.48 g/mol
Exact Mass447.16
IUPAC Name1-cyclopropylsulfonylpiperidin-3-ol;7-[1-(difluoromethyl)cyclopropyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine
SMILESNc1ncc2c(F)cc(C3(C(F)F)CC3)n2n1.O=S(=O)(C1CC1)N1CCCC(O)C1
InChIInChI=1S/C10H9F3N4.C8H15NO3S/c11-5-3-7(10(1-2-10)8(12)13)17-6(5)4-15-9(14)16-17;10-7-2-1-5-9(6-7)13(11,12)8-3-4-8/h3-4,8H,1-2H2,(H2,14,16);7-8,10H,1-6H2
InChIKeyNRNCBXIITMJGMB-UHFFFAOYSA-N
XLogP1.68
TPSA113.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.48
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-butan-2-yl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-ol
CID 169117679
7-(2,6-difluoro-3-methylphenyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-ol
CID 169117720
7-(2,2-difluorocyclopentyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;3-fluoro-1-methylsulfonylpiperidine
CID 169117517
(3R,4R)-1-cyclopropylsulfonyl-4-[[7-[4-(difluoromethyl)phenyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]piperidin-3-ol
CID 170061160
7-(4-chloro-2-fluorophenyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-sulfanylpiperidin-3-ol
CID 169117343
7-cyclopentyl-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine;1-methylsulfonylpiperidin-3-one
CID 169116976
6-(difluoromethyl)-5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;3-fluoro-1-methylsulfonylpiperidine
CID 169117899
1-(2-amino-5-bromo-4-fluorophenyl)sulfonylpiperidin-3-ol
CID 106491404
7-(1-ethenylcyclopropyl)-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 169116971
5-fluoro-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-2-amine;piperidin-3-ol
CID 169117696
7-[4-(difluoromethyl)phenyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 169117082
(3R,4R)-1-cyclopropylsulfonyl-4-[[5-fluoro-7-[5-(trifluoromethoxy)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]piperidin-3-ol
CID 170061404

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonylpiperidin-3-ol;7-[1-(difluoromethyl)cyclopropyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine?
The IUPAC name of 1-cyclopropylsulfonylpiperidin-3-ol;7-[1-(difluoromethyl)cyclopropyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine (CID 169117453) is 1-cyclopropylsulfonylpiperidin-3-ol;7-[1-(difluoromethyl)cyclopropyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine.
What is the SMILES notation for 1-cyclopropylsulfonylpiperidin-3-ol;7-[1-(difluoromethyl)cyclopropyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine?
The canonical SMILES for 1-cyclopropylsulfonylpiperidin-3-ol;7-[1-(difluoromethyl)cyclopropyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine is Nc1ncc2c(F)cc(C3(C(F)F)CC3)n2n1.O=S(=O)(C1CC1)N1CCCC(O)C1.
What is the InChIKey of 1-cyclopropylsulfonylpiperidin-3-ol;7-[1-(difluoromethyl)cyclopropyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine?
The InChIKey is NRNCBXIITMJGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4.C8H15NO3S/c11-5-3-7(10(1-2-10)8(12)13)17-6(5)4-15-9(14)16-17;10-7-2-1-5-9(6-7)13(11,12)8-3-4-8/h3-4,8H,1-2H2,(H2,14,16);7-8,10H,1-6H2.
What are the key properties of 1-cyclopropylsulfonylpiperidin-3-ol;7-[1-(difluoromethyl)cyclopropyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine?
1-cyclopropylsulfonylpiperidin-3-ol;7-[1-(difluoromethyl)cyclopropyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine has a molecular weight of 447.48 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonylpiperidin-3-ol;7-[1-(difluoromethyl)cyclopropyl]-5-fluoropyrrolo[2,1-f][1,2,4]triazin-2-amine is sourced from PubChem (CID 169117453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).